S-[[3-(1,3-benzoxazol-2-yl)-2-methyl-phenyl]carbamoylamino] 3-bromanyl-4-methoxy-benzenecarbothioate

Systemtic Name: S-[[3-(1,3-benzoxazol-2-yl)-2-methyl-phenyl]carbamoylamino] 3-bromanyl-4-methoxy-benzenecarbothioate Openeye Name: S-[[3-(1,3-benzoxazol-2-yl)-2-methyl-phenyl]carbamoylamino] 3-bromo-4-methoxy-benzenecarbothioate CAS Name: 3-bromo-4-methoxybenzenecarbothioic acid S-[[[3-(1,3-benzoxazol-2-yl)-2-methylanilino]-oxomethyl]amino] ester IUPAC Name: S-[[3-(1,3-benzoxazol-2-yl)-2-methylphenyl]carbamoylamino] 3-bromo-4-methoxybenzenecarbothioate Traditional Name: 3-bromo-4-methoxy-thiobenzoic acid S-[[3-(1,3-benzoxazol-2-yl)-2-methyl-phenyl]carbamoylamino] ester Formula: C23H18BrN3O4S MolecularWeight: 512.37572

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1NC(=O)NSC(=O)C2=CC(=C(C=C2)OC)Br)C3=NC4=CC=CC=C4O3

Isomeric SMILES

CC1=C(C=CC=C1NC(=O)NSC(=O)C2=CC(=C(C=C2)OC)Br)C3=NC4=CC=CC=C4O3

InChI

InChI=1S/C23H18BrN3O4S/c1-13-15(21-25-18-7-3-4-9-20(18)31-21)6-5-8-17(13)26-23(29)27-32-22(28)14-10-11-19(30-2)16(24)12-14/h3-12H,1-2H3,(H2,26,27,29)